SCHEMBL7048799

SCHEMBL7048799

COC(=O)C(=O)Nc1cc(Br)c(Oc2cc(C(C)C)c(O)cc2C(=O)c2ccccc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
THRA P10827 4/20 0.46
THRB P10828 4/20 0.46
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7052898 0.93 THRA (0.48) NR3C1THRATHRBLMNABCL2
SCHEMBL7051611 0.85 NR3C1 (0.51) NR3C1THRATHRBLMNAMAPT
SCHEMBL7048717 0.84 THRA (0.47) THRATHRB
SCHEMBL7052042 0.84 THRA (0.59) NR3C1THRATHRBLMNAMAPT
SCHEMBL7054876 0.84 NR3C1 (0.51) NR3C1THRATHRBLMNAMAPT
SCHEMBL7051459 0.82 NR3C1 (0.59) NR3C1THRATHRB
SCHEMBL7053938 0.80 NR3C1 (0.67) NR3C1THRATHRB
SCHEMBL7053398 0.80 THRA (0.47) THRATHRB
SCHEMBL7051681 0.79 THRA (0.49) THRATHRB
SCHEMBL7050517 0.77 THRA (0.49) THRATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP claimed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US claimed
EP-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP disclosed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed
EP-1102739-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-30 EP disclosed
WO-2000007972-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2000-02-17 WO disclosed